SCHEMBL29463552

SCHEMBL29463552

Cc1n[nH]c(C2CC2)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 16/20 0.50
PDE4D Q08499 1/20 0.37
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
MEN1 O00255 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A4 P31645 1/20 0.33
PLAT P00750 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2201791 0.78 PDE4D (0.63) HCAR2PDE4DMEN1KMT2APLAT
SCHEMBL28359190 0.74 HCAR2 (0.50) HCAR2CCNA2CDK2CCNA1SLC6A4
SCHEMBL27758273 0.73 PDE4D (0.48) PDE4DCYP2C19PLAT
SCHEMBL27758237 0.73 HCAR2 (0.42) HCAR2CYP2C19
SCHEMBL1663754 0.71 PDE4D (0.59) HCAR2PDE4DMEN1CYP2C19KMT2A
SCHEMBL16231396 0.71 DYRK1A (0.44) HCAR2
SCHEMBL3544924 0.71 PDE10A (0.42) HCAR2PDE4DMEN1KMT2A
SCHEMBL21834224 0.70 HCAR2 (0.40) HCAR2PDE4DCCNA2CDK2CCNA1
SCHEMBL4443157 0.68 SIRT1 (0.50) HCAR2CCNA2CDK2CCNA1MEN1
SCHEMBL16979319 0.68 HCAR2 (0.52) HCAR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3962481-A1 KCNT1 INHIBITORS AND METHODS OF USE Praxis Precision Medicines, Inc. (US) 2022-03-09 EP disclosed